کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5441166 | 1510374 | 2017 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Local order and dynamic properties of liquid Agx-Sn1Â âx alloys by ab initio molecular dynamics
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Local order and dynamic properties of liquid Agx-Sn1Â âx alloys by ab initio molecular dynamics Local order and dynamic properties of liquid Agx-Sn1Â âx alloys by ab initio molecular dynamics](/preview/png/5441166.png)
چکیده انگلیسی
Several static and dynamic properties of the liquid AgxSn1Â âx alloys have been evaluated by ab-initio molecular dynamics simulations. The calculated total static structure factors are in good agreement with the corresponding experimental data. The partial dynamic structure factors and the longitudinal current correlation spectra exhibit side peaks, some of which are indicative of propagating density fluctuations, while others are due to interdiffusion processes. Results are also reported for other dynamical properties such as the diffusion coefficients, including self- and inter-diffusion, the shear viscosity, and the adiabatic sound velocity. The electronic density of states shows that the liquid AgxSn1Â âx alloys have a metallic character, although with strong deviations from the free-electron parabolic curve.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Non-Crystalline Solids - Volume 473, 1 October 2017, Pages 179-187
Journal: Journal of Non-Crystalline Solids - Volume 473, 1 October 2017, Pages 179-187
نویسندگان
B.G. del Rio, L. CalderÃn, L.E. González, D.J. González,